ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(1-methyl-4H-pyridin-3-yl)carbonylamino]propanoate

Systemtic Name: ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(1-methyl-4H-pyridin-3-yl)carbonylamino]propanoate Openeye Name: ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(1-methyl-4H-pyridine-3-carbonyl)amino]propanoate CAS Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[(1-methyl-4H-pyridin-3-yl)-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(1-methyl-4H-pyridine-3-carbonyl)amino]propanoate Traditional Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(1-methyl-4H-pyridine-3-carbonyl)amino]propionic acid ethyl ester Formula: C22H29Cl2N3O3 MolecularWeight: 454.38996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C2=CN(C=CC2)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C2=CN(C=CC2)C

InChI

InChI=1S/C22H29Cl2N3O3/c1-3-30-22(29)20(25-21(28)18-5-4-12-26(2)16-18)15-17-6-8-19(9-7-17)27(13-10-23)14-11-24/h4,6-9,12,16,20H,3,5,10-11,13-15H2,1-2H3,(H,25,28)